Mechanistic understanding of enhanced photocatalytic activity of N-doped BiVO4 towards degradation of ibuprofen: An experimental and theoretical approach

An experimental and theoretical approach toward enhanced photocatalytic efficiency of N-doped BiVO4 synthesized by facile microwave-assisted hydrothermal process was investigated. The photocatalytic efficiency was determined by the degradation of ibuprofen. The degradation attains 90% with an N-dopedBiVO(4) (BVO-U1.25) sample, which is 19% higher than that with an undoped BiVO4. Moreover, the degradation pathways and intermediate byproducts were determined by HRQTOF-ESI/MS technique. The enhancement of the photocatalytic activity of N-doped BiVO4 was explained by the first principle density functional theory calculations. The reduction of the bandgap by lowering the conduction band, the formation of the impurity state as well as an increase in the density of states at the top of the valence band as a result of N-doping reduced the recombination rate of the charge carrier and thus enhanced the overall photocatalytic degradation.